Użyto następujących bibliotek: - dplyr - ggplot2 - DT - data.table - kableExtra - Hmisc - corrplot - PerformanceAnalytics - caret - purrr - tidyr - plotly
Następujący kod zapewnia powtarzalność eksperymentu.
set.seed(7)
prettyTable <- function(table_df, round_columns=numeric(), round_digits=2) {
DT::datatable(table_df, style="bootstrap", filter = "top", rownames = FALSE, extensions = "Buttons", options = list(dom = 'Bfrtip',
buttons = c('copy', 'csv', 'excel', 'pdf', 'print'))) %>%
formatRound(round_columns, round_digits)
}unwanted <- c('UNK', 'UNX', 'UNL', 'DUM', 'N', 'BLOB', 'ALA', 'ARG', 'ASN', 'ASP', 'CYS', 'GLN', 'GLU', 'GLY', 'HIS', 'ILE', 'LEU', 'LYS', 'MET', 'MSE', 'PHE', 'PRO', 'SEC', 'SER', 'THR', 'TRP', 'TYR', 'VAL', 'DA', 'DG', 'DT', 'DC', 'DU', 'A', 'G', 'T', 'C', 'U', 'HOH', 'H20', 'WAT')
data_set_clean <- data_set %>% filter(!res_name %in% unwanted) %>% filter(!is.na(res_name))
print(paste0('tryout size: ', nrow(data_set)))## [1] "tryout size: 5000"
## [1] "clean size: 4918"
## [1] "delta: 82"
Kolumna “weight_col” wydaje się zawierać wartości puste dla większości wierszy, dlatego też wykluczono ją ze zbioru danych. Poza tym, pominięto wiersze z brakującymi wartościami, gdyż jest ich niewiele w stosunku do rozmiaru całego zbioru.
#print(sapply(data_set_clean, function(x) sum(is.na(x))))
data_set_clean <- data_set_clean %>% select(-weight_col)
#print(nrow(data_set_clean) - nrow(na.omit(data_set_clean)))
data_set_clean <- na.omit(data_set_clean)
print(paste0('clean size: ', nrow(data_set_clean)))## [1] "clean size: 4488"
## [1] "Number of rows: 4488"
## [1] "Number of columns: 411"
kable(summary(data_set_clean)) %>%
kable_styling(bootstrap_options = c("striped", "hover", "bordered", "responsive", 'basic')) %>%
scroll_box(width = "100%")| blob_coverage | res_coverage | title | pdb_code | res_name | res_id | chain_id | blob_volume_coverage | blob_volume_coverage_second | res_volume_coverage | res_volume_coverage_second | local_res_atom_count | local_res_atom_non_h_count | local_res_atom_non_h_occupancy_sum | local_res_atom_non_h_electron_sum | local_res_atom_non_h_electron_occupancy_sum | local_res_atom_C_count | local_res_atom_N_count | local_res_atom_O_count | local_res_atom_S_count | dict_atom_non_h_count | dict_atom_non_h_electron_sum | dict_atom_C_count | dict_atom_N_count | dict_atom_O_count | dict_atom_S_count | skeleton_data | skeleton_cycle_4 | skeleton_diameter | skeleton_cycle_6 | skeleton_cycle_7 | skeleton_closeness_006_008 | skeleton_closeness_002_004 | skeleton_cycle_3 | skeleton_avg_degree | skeleton_closeness_004_006 | skeleton_closeness_010_012 | skeleton_closeness_012_014 | skeleton_edges | skeleton_radius | skeleton_cycle_8_plus | skeleton_closeness_020_030 | skeleton_deg_5_plus | skeleton_closeness_016_018 | skeleton_closeness_008_010 | skeleton_closeness_018_020 | skeleton_average_clustering | skeleton_closeness_040_050 | skeleton_closeness_014_016 | skeleton_center | skeleton_closeness_000_002 | skeleton_density | skeleton_closeness_030_040 | skeleton_deg_4 | skeleton_deg_0 | skeleton_deg_1 | skeleton_deg_2 | skeleton_deg_3 | skeleton_graph_clique_number | skeleton_nodes | skeleton_cycles | skeleton_cycle_5 | skeleton_closeness_050_plus | skeleton_periphery | local_volume | local_electrons | local_mean | local_std | local_min | local_max | local_max_over_std | local_skewness | local_cut_by_mainchain_volume | local_near_cut_count_C | local_near_cut_count_other | local_near_cut_count_S | local_near_cut_count_O | local_near_cut_count_N | part_00_shape_segments_count | part_00_density_segments_count | part_00_volume | part_00_electrons | part_00_mean | part_00_std | part_00_max | part_00_max_over_std | part_00_skewness | part_00_parts | part_00_shape_O3 | part_00_shape_O4 | part_00_shape_O5 | part_00_shape_FL | part_00_shape_O3_norm | part_00_shape_O4_norm | part_00_shape_O5_norm | part_00_shape_FL_norm | part_00_shape_I1 | part_00_shape_I2 | part_00_shape_I3 | part_00_shape_I4 | part_00_shape_I5 | part_00_shape_I6 | part_00_shape_I1_norm | part_00_shape_I2_norm | part_00_shape_I3_norm | part_00_shape_I4_norm | part_00_shape_I5_norm | part_00_shape_I6_norm | part_00_shape_M000 | part_00_shape_CI | part_00_shape_E3_E1 | part_00_shape_E2_E1 | part_00_shape_E3_E2 | part_00_shape_sqrt_E1 | part_00_shape_sqrt_E2 | part_00_shape_sqrt_E3 | part_00_density_O3 | part_00_density_O4 | part_00_density_O5 | part_00_density_FL | part_00_density_O3_norm | part_00_density_O4_norm | part_00_density_O5_norm | part_00_density_FL_norm | part_00_density_I1 | part_00_density_I2 | part_00_density_I3 | part_00_density_I4 | part_00_density_I5 | part_00_density_I6 | part_00_density_I1_norm | part_00_density_I2_norm | part_00_density_I3_norm | part_00_density_I4_norm | part_00_density_I5_norm | part_00_density_I6_norm | part_00_density_M000 | part_00_density_CI | part_00_density_E3_E1 | part_00_density_E2_E1 | part_00_density_E3_E2 | part_00_density_sqrt_E1 | part_00_density_sqrt_E2 | part_00_density_sqrt_E3 | part_00_shape_Z_7_3 | part_00_shape_Z_0_0 | part_00_shape_Z_7_0 | part_00_shape_Z_7_1 | part_00_shape_Z_3_0 | part_00_shape_Z_5_2 | part_00_shape_Z_6_1 | part_00_shape_Z_3_1 | part_00_shape_Z_6_0 | part_00_shape_Z_2_1 | part_00_shape_Z_6_3 | part_00_shape_Z_2_0 | part_00_shape_Z_6_2 | part_00_shape_Z_5_0 | part_00_shape_Z_5_1 | part_00_shape_Z_4_2 | part_00_shape_Z_1_0 | part_00_shape_Z_4_1 | part_00_shape_Z_7_2 | part_00_shape_Z_4_0 | part_00_density_Z_7_3 | part_00_density_Z_0_0 | part_00_density_Z_7_0 | part_00_density_Z_7_1 | part_00_density_Z_3_0 | part_00_density_Z_5_2 | part_00_density_Z_6_1 | part_00_density_Z_3_1 | part_00_density_Z_6_0 | part_00_density_Z_2_1 | part_00_density_Z_6_3 | part_00_density_Z_2_0 | part_00_density_Z_6_2 | part_00_density_Z_5_0 | part_00_density_Z_5_1 | part_00_density_Z_4_2 | part_00_density_Z_1_0 | part_00_density_Z_4_1 | part_00_density_Z_7_2 | part_00_density_Z_4_0 | part_01_shape_segments_count | part_01_density_segments_count | part_01_volume | part_01_electrons | part_01_mean | part_01_std | part_01_max | part_01_max_over_std | part_01_skewness | part_01_parts | part_01_shape_O3 | part_01_shape_O4 | part_01_shape_O5 | part_01_shape_FL | part_01_shape_O3_norm | part_01_shape_O4_norm | part_01_shape_O5_norm | part_01_shape_FL_norm | part_01_shape_I1 | part_01_shape_I2 | part_01_shape_I3 | part_01_shape_I4 | part_01_shape_I5 | part_01_shape_I6 | part_01_shape_I1_norm | part_01_shape_I2_norm | part_01_shape_I3_norm | part_01_shape_I4_norm | part_01_shape_I5_norm | part_01_shape_I6_norm | part_01_shape_M000 | part_01_shape_CI | part_01_shape_E3_E1 | part_01_shape_E2_E1 | part_01_shape_E3_E2 | part_01_shape_sqrt_E1 | part_01_shape_sqrt_E2 | part_01_shape_sqrt_E3 | part_01_density_O3 | part_01_density_O4 | part_01_density_O5 | part_01_density_FL | part_01_density_O3_norm | part_01_density_O4_norm | part_01_density_O5_norm | part_01_density_FL_norm | part_01_density_I1 | part_01_density_I2 | part_01_density_I3 | part_01_density_I4 | part_01_density_I5 | part_01_density_I6 | part_01_density_I1_norm | part_01_density_I2_norm | part_01_density_I3_norm | part_01_density_I4_norm | part_01_density_I5_norm | part_01_density_I6_norm | part_01_density_M000 | part_01_density_CI | part_01_density_E3_E1 | part_01_density_E2_E1 | part_01_density_E3_E2 | part_01_density_sqrt_E1 | part_01_density_sqrt_E2 | part_01_density_sqrt_E3 | part_01_shape_Z_7_3 | part_01_shape_Z_0_0 | part_01_shape_Z_7_0 | part_01_shape_Z_7_1 | part_01_shape_Z_3_0 | part_01_shape_Z_5_2 | part_01_shape_Z_6_1 | part_01_shape_Z_3_1 | part_01_shape_Z_6_0 | part_01_shape_Z_2_1 | part_01_shape_Z_6_3 | part_01_shape_Z_2_0 | part_01_shape_Z_6_2 | part_01_shape_Z_5_0 | part_01_shape_Z_5_1 | part_01_shape_Z_4_2 | part_01_shape_Z_1_0 | part_01_shape_Z_4_1 | part_01_shape_Z_7_2 | part_01_shape_Z_4_0 | part_01_density_Z_7_3 | part_01_density_Z_0_0 | part_01_density_Z_7_0 | part_01_density_Z_7_1 | part_01_density_Z_3_0 | part_01_density_Z_5_2 | part_01_density_Z_6_1 | part_01_density_Z_3_1 | part_01_density_Z_6_0 | part_01_density_Z_2_1 | part_01_density_Z_6_3 | part_01_density_Z_2_0 | part_01_density_Z_6_2 | part_01_density_Z_5_0 | part_01_density_Z_5_1 | part_01_density_Z_4_2 | part_01_density_Z_1_0 | part_01_density_Z_4_1 | part_01_density_Z_7_2 | part_01_density_Z_4_0 | part_02_shape_segments_count | part_02_density_segments_count | part_02_volume | part_02_electrons | part_02_mean | part_02_std | part_02_max | part_02_max_over_std | part_02_skewness | part_02_parts | part_02_shape_O3 | part_02_shape_O4 | part_02_shape_O5 | part_02_shape_FL | part_02_shape_O3_norm | part_02_shape_O4_norm | part_02_shape_O5_norm | part_02_shape_FL_norm | part_02_shape_I1 | part_02_shape_I2 | part_02_shape_I3 | part_02_shape_I4 | part_02_shape_I5 | part_02_shape_I6 | part_02_shape_I1_norm | part_02_shape_I2_norm | part_02_shape_I3_norm | part_02_shape_I4_norm | part_02_shape_I5_norm | part_02_shape_I6_norm | part_02_shape_M000 | part_02_shape_CI | part_02_shape_E3_E1 | part_02_shape_E2_E1 | part_02_shape_E3_E2 | part_02_shape_sqrt_E1 | part_02_shape_sqrt_E2 | part_02_shape_sqrt_E3 | part_02_density_O3 | part_02_density_O4 | part_02_density_O5 | part_02_density_FL | part_02_density_O3_norm | part_02_density_O4_norm | part_02_density_O5_norm | part_02_density_FL_norm | part_02_density_I1 | part_02_density_I2 | part_02_density_I3 | part_02_density_I4 | part_02_density_I5 | part_02_density_I6 | part_02_density_I1_norm | part_02_density_I2_norm | part_02_density_I3_norm | part_02_density_I4_norm | part_02_density_I5_norm | part_02_density_I6_norm | part_02_density_M000 | part_02_density_CI | part_02_density_E3_E1 | part_02_density_E2_E1 | part_02_density_E3_E2 | part_02_density_sqrt_E1 | part_02_density_sqrt_E2 | part_02_density_sqrt_E3 | part_02_shape_Z_7_3 | part_02_shape_Z_0_0 | part_02_shape_Z_7_0 | part_02_shape_Z_7_1 | part_02_shape_Z_3_0 | part_02_shape_Z_5_2 | part_02_shape_Z_6_1 | part_02_shape_Z_3_1 | part_02_shape_Z_6_0 | part_02_shape_Z_2_1 | part_02_shape_Z_6_3 | part_02_shape_Z_2_0 | part_02_shape_Z_6_2 | part_02_shape_Z_5_0 | part_02_shape_Z_5_1 | part_02_shape_Z_4_2 | part_02_shape_Z_1_0 | part_02_shape_Z_4_1 | part_02_shape_Z_7_2 | part_02_shape_Z_4_0 | part_02_density_Z_7_3 | part_02_density_Z_0_0 | part_02_density_Z_7_0 | part_02_density_Z_7_1 | part_02_density_Z_3_0 | part_02_density_Z_5_2 | part_02_density_Z_6_1 | part_02_density_Z_3_1 | part_02_density_Z_6_0 | part_02_density_Z_2_1 | part_02_density_Z_6_3 | part_02_density_Z_2_0 | part_02_density_Z_6_2 | part_02_density_Z_5_0 | part_02_density_Z_5_1 | part_02_density_Z_4_2 | part_02_density_Z_1_0 | part_02_density_Z_4_1 | part_02_density_Z_7_2 | part_02_density_Z_4_0 | fo_col | fc_col | grid_space | solvent_radius | solvent_opening_radius | resolution_max_limit | resolution | FoFc_mean | FoFc_std | FoFc_square_std | FoFc_min | FoFc_max | part_step_FoFc_std_min | part_step_FoFc_std_max | part_step_FoFc_std_step | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Length:4488 | Length:4488 | Length:4488 | Length:4488 | Length:4488 | Min. : 0.0 | Length:4488 | Min. :0.02305 | Min. :0.00000 | Min. :0.01637 | Min. :0.00000 | Min. : 1.00 | Min. : 1.00 | Min. :-7.38 | Min. : 7.0 | Min. :-45.91 | Min. : 0.000 | Min. : 0.000 | Min. : 0.000 | Min. :0.0000 | Min. : 1.00 | Min. : 7.0 | Min. : 0.000 | Min. : 0.000 | Min. : 0.0 | Min. :0.0000 | Length:4488 | Min. : 0.0000 | Min. : 0.00 | Min. : 0.00000 | Min. : 0.00000 | Min. : 0.00 | Min. : 0.00000 | Min. : 0.0000 | Min. :0.000 | Min. : 0.000 | Min. : 0.000 | Min. : 0.000 | Min. : 0.0 | Min. : 0.00 | Min. : 0.0000 | Min. : 0.000 | Min. : 0.0000 | Min. : 0.000 | Min. : 0.000 | Min. : 0.000 | Min. :0.0000000 | Min. : 0.00 | Min. : 0.000 | Min. : 1.000 | Min. :0.0000 | Min. :0.00000 | Min. : 0.000 | Min. : 0.0000 | Min. :0.0000 | Min. : 0.000 | Min. : 0.00 | Min. : 0.000 | Min. :1.000 | Min. : 1.00 | Min. : 0.000 | Min. : 0.0000 | Min. : 0.000 | Min. : 1.000 | Min. : 97.34 | Min. : 0.5575 | Min. :0.002353 | Min. :0.02546 | Min. :0 | Min. : 0.1470 | Min. : 3.947 | Min. :0.04239 | Min. : 0.0000 | Min. : 0.000 | Min. :0.00000 | Min. :0.0000 | Min. : 0.00 | Min. : 0.000 | Min. : 1 | Min. : 1 | Min. : 2.048 | Min. : 0.5575 | Min. :0.1093 | Min. :0.01150 | Min. : 0.1470 | Min. : 3.947 | Min. :0.01061 | Min. : 1.00 | Min. : 2507 | Min. :2.028e+06 | Min. :5.290e+08 | Min. :6.388e+04 | Min. :0.2311 | Min. :0.01780 | Min. :0.0004538 | Min. : 0.000002 | Min. :3.031e+04 | Min. :2.302e+08 | Min. :2.145e+08 | Min. :2.594e+04 | Min. :1.460e+02 | Min. :2.698e+07 | Min. : 0.06365 | Min. : 0.001080 | Min. : 0.00081 | Min. :0.000001 | Min. :0.000000 | Min. : 0.004909 | Min. : 256 | Min. :-36.83657 | Min. :0.01393 | Min. :0.02327 | Min. :0.0328 | Min. : 1.918 | Min. : 1.383 | Min. : 1.057 | Min. : 831 | Min. :2.019e+05 | Min. :1.467e+07 | Min. :1.555e+04 | Min. :0.04382 | Min. :0.000631 | Min. :0.000003 | Min. : 0.00000 | Min. :1.116e+04 | Min. :3.047e+07 | Min. :2.775e+07 | Min. :9.576e+03 | Min. :2.880e+02 | Min. :3.630e+06 | Min. : 0.00303 | Min. : 0.0000 | Min. : 0.000 | Min. : 0.00000 | Min. : 0.00000 | Min. : 0.0000 | Min. : 69.69 | Min. :-43.45620 | Min. :0.01323 | Min. :0.0206 | Min. :0.04059 | Min. : 1.664 | Min. : 1.353 | Min. : 1.031 | Min. : 8.074 | Min. : 7.818 | Min. : 1.970 | Min. : 4.875 | Min. : 1.533 | Min. : 5.994 | Min. : 3.01 | Min. : 4.041 | Min. : 0.08336 | Min. : 4.503 | Min. : 6.003 | Min. : 2.532 | Min. : 4.806 | Min. : 1.224 | Min. : 4.65 | Min. : 5.704 | Min. :0.9021 | Min. : 4.086 | Min. : 7.019 | Min. : 0.1017 | Min. : 5.763 | Min. : 4.079 | Min. : 2.147 | Min. : 4.493 | Min. : 1.258 | Min. : 3.899 | Min. : 2.069 | Min. : 2.497 | Min. : 0.109 | Min. : 4.781 | Min. : 3.502 | Min. : 3.524 | Min. : 2.782 | Min. : 1.016 | Min. : 3.150 | Min. : 3.034 | Min. :0.8848 | Min. : 2.124 | Min. : 5.11 | Min. : 0.1646 | Min. : 1.0 | Min. : 1.0 | Min. : 0.712 | Min. : 0.2812 | Min. :0.1210 | Min. :0.008178 | Min. : 0.1470 | Min. : 3.947 | Min. :0.007001 | Min. : 1.000 | Min. : 735 | Min. :1.616e+05 | Min. :8.214e+06 | Min. :4.507e+03 | Min. :0.2311 | Min. :0.01779 | Min. :0.0004475 | Min. : 0.00000 | Min. :5.643e+03 | Min. :7.438e+06 | Min. :7.052e+06 | Min. :2.085e+03 | Min. :1.600e+01 | Min. :1.519e+06 | Min. : 0.06359 | Min. : 0.00108 | Min. : 0.0008 | Min. : 0.00000 | Min. : 0.00000 | Min. : 0.00490 | Min. : 89.0 | Min. :-49.37426 | Min. :0.006985 | Min. :0.0155 | Min. :0.03173 | Min. : 1.583 | Min. : 1.096 | Min. : 0.843 | Min. : 255 | Min. :1.859e+04 | Min. :4.088e+05 | Min. :9.210e+02 | Min. :0.03937 | Min. :0.000515 | Min. :0.0000022 | Min. : 0.0000 | Min. :2.124e+03 | Min. :1.066e+06 | Min. :1.136e+06 | Min. :4.470e+02 | Min. :5.000e+00 | Min. :1.964e+05 | Min. : 0.00213 | Min. : 0.0000 | Min. : 0.000 | Min. : 0.0000 | Min. : 0.0000 | Min. : 0.0000 | Min. : 35.15 | Min. :-62.25246 | Min. :0.006796 | Min. :0.01503 | Min. :0.0391 | Min. : 1.557 | Min. : 1.073 | Min. : 0.8301 | Min. : 7.964 | Min. : 4.609 | Min. : 1.557 | Min. : 5.573 | Min. : 1.097 | Min. : 6.149 | Min. : 2.253 | Min. : 3.972 | Min. : 0.07402 | Min. : 4.439 | Min. : 4.204 | Min. : 1.724 | Min. : 3.095 | Min. : 2.025 | Min. : 4.539 | Min. : 4.305 | Min. :0.8159 | Min. : 2.604 | Min. : 7.25 | Min. : 0.04122 | Min. : 6.157 | Min. : 2.897 | Min. : 2.012 | Min. : 4.466 | Min. : 1.409 | Min. : 5.100 | Min. : 1.308 | Min. : 3.169 | Min. : 0.03706 | Min. : 3.209 | Min. : 2.679 | Min. : 2.241 | Min. : 2.009 | Min. : 2.032 | Min. : 3.724 | Min. : 2.286 | Min. :0.8034 | Min. : 1.255 | Min. : 5.456 | Min. : 0.1485 | Min. : 1.0 | Min. : 1.0 | Min. : 0.256 | Min. : 0.06107 | Min. :0.1342 | Min. :0.002289 | Min. : 0.1470 | Min. : 3.947 | Min. :0.001497 | Min. : 1.000 | Min. : 77 | Min. :1.866e+03 | Min. :1.341e+04 | Min. :0.000e+00 | Min. : 0.2309 | Min. :0.01746 | Min. :0.0003996 | Min. : 0.00000 | Min. :2.310e+02 | Min. :1.229e+04 | Min. :1.124e+04 | Min. :0.000e+00 | Min. :0.000e+00 | Min. :6.209e+03 | Min. : 0.06347 | Min. : 0.0010 | Min. : 0.00 | Min. : 0.00000 | Min. : 0.00000 | Min. : 0.0049 | Min. : 32.0 | Min. :-98.03857 | Min. :0.002117 | Min. :0.003496 | Min. :0.02969 | Min. : 0.9532 | Min. : 0.6796 | Min. : 0.4825 | Min. : 20 | Min. :1.130e+02 | Min. :2.000e+02 | Min. :-3.000e+00 | Min. : 0.03914 | Min. :0.000509 | Min. :0.0000022 | Min. : -0.0001 | Min. :6.700e+01 | Min. :7.940e+02 | Min. :1.413e+03 | Min. :-1.000e+00 | Min. :0.000e+00 | Min. :5.760e+02 | Min. : 0.0021 | Min. : 0.000 | Min. : 0.0 | Min. : 0.0000 | Min. : 0.0000 | Min. : 0.000 | Min. : 7.634 | Min. :-107.86678 | Min. :0.002099 | Min. :0.003465 | Min. :0.03466 | Min. : 0.9319 | Min. : 0.6755 | Min. : 0.4822 | Min. : 7.839 | Min. : 2.764 | Min. : 2.134 | Min. : 5.227 | Min. : 1.033 | Min. : 5.832 | Min. : 1.669 | Min. : 3.606 | Min. : 0.05735 | Min. : 1.982 | Min. : 3.824 | Min. : 0.5542 | Min. : 2.817 | Min. : 1.595 | Min. : 3.737 | Min. : 2.47 | Min. :0.8479 | Min. : 1.246 | Min. : 6.552 | Min. : 0.1485 | Min. : 4.99 | Min. : 1.350 | Min. : 1.764 | Min. : 4.087 | Min. : 0.6542 | Min. : 4.146 | Min. : 0.9312 | Min. : 1.981 | Min. : 0.08521 | Min. : 1.722 | Min. : 1.974 | Min. : 0.4543 | Min. : 1.501 | Min. : 1.600 | Min. : 3.169 | Min. : 1.595 | Min. :0.8359 | Min. : 0.8051 | Min. : 4.511 | Min. : 0.02617 | Length:4488 | Length:4488 | Min. :0.2 | Min. :1.9 | Min. :1.4 | Min. :1 | Min. :0.8697 | Min. :-6.051e-08 | Min. :0.03299 | Min. :0.001089 | Min. :-2.4216 | Min. : 0.2261 | Min. :2.8 | Min. :4.05 | Min. :0.5 | |
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0.000 | 1st Qu.:2.000 | 1st Qu.: 4.00 | 1st Qu.: 0.000 | 1st Qu.: 0.0000 | 1st Qu.: 0.000 | 1st Qu.: 2.000 | 1st Qu.: 230.82 | 1st Qu.: 4.0973 | 1st Qu.:0.013283 | 1st Qu.:0.07303 | 1st Qu.:0 | 1st Qu.: 0.6075 | 1st Qu.: 5.611 | 1st Qu.:0.12865 | 1st Qu.: 0.0000 | 1st Qu.: 0.000 | 1st Qu.:0.00000 | 1st Qu.:0.0000 | 1st Qu.: 0.00 | 1st Qu.: 0.000 | 1st Qu.: 6 | 1st Qu.: 6 | 1st Qu.: 8.024 | 1st Qu.: 4.0832 | 1st Qu.:0.3789 | 1st Qu.:0.07413 | 1st Qu.: 0.6075 | 1st Qu.: 5.611 | 1st Qu.:0.06592 | 1st Qu.: 1.00 | 1st Qu.: 36528 | 1st Qu.:3.423e+08 | 1st Qu.:8.158e+11 | 1st Qu.:2.210e+09 | 1st Qu.:0.2722 | 1st Qu.:0.02188 | 1st Qu.:0.0005212 | 1st Qu.: 0.000701 | 1st Qu.:1.859e+06 | 1st Qu.:5.419e+11 | 1st Qu.:1.179e+12 | 1st Qu.:1.122e+09 | 1st Qu.:1.558e+08 | 1st Qu.:2.977e+10 | 1st Qu.: 0.10013 | 1st Qu.: 0.002015 | 1st Qu.: 0.00323 | 1st Qu.:0.000329 | 1st Qu.:0.000047 | 1st Qu.: 0.010866 | 1st Qu.: 1003 | 1st Qu.: -0.83974 | 1st Qu.:0.08479 | 1st Qu.:0.21672 | 1st Qu.:0.3527 | 1st Qu.: 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Qu.:2.232e+07 | 1st Qu.:1.405e+10 | 1st Qu.:7.143e+07 | 1st Qu.:0.35575 | 1st Qu.:0.037321 | 1st Qu.:0.0011077 | 1st Qu.: 0.0012 | 1st Qu.:3.846e+05 | 1st Qu.:1.967e+10 | 1st Qu.:5.288e+10 | 1st Qu.:3.662e+07 | 1st Qu.:5.955e+06 | 1st Qu.:1.745e+09 | 1st Qu.: 0.18207 | 1st Qu.: 0.0066 | 1st Qu.: 0.011 | 1st Qu.: 0.0005 | 1st Qu.: 0.0001 | 1st Qu.: 0.0258 | 1st Qu.: 358.79 | 1st Qu.: -0.70225 | 1st Qu.:0.074477 | 1st Qu.:0.20479 | 1st Qu.:0.3546 | 1st Qu.: 3.466 | 1st Qu.: 2.265 | 1st Qu.: 1.7297 | 1st Qu.: 13.635 | 1st Qu.: 12.616 | 1st Qu.: 6.668 | 1st Qu.: 8.955 | 1st Qu.: 5.107 | 1st Qu.: 12.688 | 1st Qu.: 10.337 | 1st Qu.: 9.960 | 1st Qu.: 4.93031 | 1st Qu.: 16.882 | 1st Qu.: 15.912 | 1st Qu.: 12.288 | 1st Qu.: 13.827 | 1st Qu.: 5.448 | 1st Qu.: 9.712 | 1st Qu.: 16.301 | 1st Qu.:1.2812 | 1st Qu.: 13.082 | 1st Qu.: 11.50 | 1st Qu.: 6.80187 | 1st Qu.: 9.971 | 1st Qu.: 9.255 | 1st Qu.: 6.276 | 1st Qu.: 7.541 | 1st Qu.: 4.176 | 1st Qu.: 9.057 | 1st Qu.: 6.662 | 1st Qu.: 7.016 | 1st Qu.: 3.28236 | 1st Qu.: 12.970 | 1st Qu.: 10.502 | 1st Qu.: 9.706 | 1st Qu.: 9.089 | 1st Qu.: 5.219 | 1st Qu.: 7.335 | 1st Qu.: 12.383 | 1st Qu.:1.2711 | 1st Qu.: 10.732 | 1st Qu.: 8.773 | 1st Qu.: 5.6792 | 1st Qu.: 3.0 | 1st Qu.: 3.0 | 1st Qu.: 3.166 | 1st Qu.: 1.82767 | 1st Qu.:0.4507 | 1st Qu.:0.050063 | 1st Qu.: 0.6075 | 1st Qu.: 5.611 | 1st Qu.:0.041721 | 1st Qu.: 1.000 | 1st Qu.: 8235 | 1st Qu.:1.505e+07 | 1st Qu.:8.064e+09 | 1st Qu.:2.075e+07 | 1st Qu.: 0.2532 | 1st Qu.:0.01985 | 1st Qu.:0.0004744 | 1st Qu.: 0.00024 | 1st Qu.:2.136e+05 | 1st Qu.:6.998e+09 | 1st Qu.:1.586e+10 | 1st Qu.:9.893e+06 | 1st Qu.:9.214e+05 | 1st Qu.:7.853e+08 | 1st Qu.: 0.08191 | 1st Qu.: 0.0015 | 1st Qu.: 0.00 | 1st Qu.: 0.00010 | 1st Qu.: 0.00001 | 1st Qu.: 0.0078 | 1st Qu.: 395.8 | 1st Qu.: -0.46655 | 1st Qu.:0.073045 | 1st Qu.:0.208313 | 1st Qu.:0.36701 | 1st Qu.: 3.0403 | 1st Qu.: 1.9642 | 1st Qu.: 1.5164 | 1st Qu.: 4663 | 1st Qu.:4.760e+06 | 1st Qu.:1.296e+09 | 1st Qu.: 6.176e+06 | 1st Qu.: 0.32984 | 1st Qu.:0.031772 | 1st Qu.:0.0009055 | 1st Qu.: 0.0006 | 1st Qu.:1.231e+05 | 1st Qu.:1.997e+09 | 1st Qu.:4.947e+09 | 1st Qu.: 3.049e+06 | 1st Qu.:4.077e+05 | 1st Qu.:2.572e+08 | 1st Qu.: 0.1515 | 1st Qu.: 0.005 | 1st Qu.: 0.0 | 1st Qu.: 0.0003 | 1st Qu.: 0.0000 | 1st Qu.: 0.020 | 1st Qu.: 228.459 | 1st Qu.: -0.50622 | 1st Qu.:0.071699 | 1st Qu.:0.207316 | 1st Qu.:0.36884 | 1st Qu.: 2.8791 | 1st Qu.: 1.9071 | 1st Qu.: 1.4792 | 1st Qu.: 11.068 | 1st Qu.: 9.720 | 1st Qu.: 6.816 | 1st Qu.: 8.516 | 1st Qu.: 4.488 | 1st Qu.: 9.240 | 1st Qu.: 7.457 | 1st Qu.: 7.284 | 1st Qu.: 3.65600 | 1st Qu.: 12.753 | 1st Qu.: 11.565 | 1st Qu.: 8.9273 | 1st Qu.: 9.878 | 1st Qu.: 5.591 | 1st Qu.: 7.542 | 1st Qu.: 11.75 | 1st Qu.:1.3270 | 1st Qu.: 9.280 | 1st Qu.: 9.794 | 1st Qu.: 4.6130 | 1st Qu.: 9.37 | 1st Qu.: 7.385 | 1st Qu.: 6.549 | 1st Qu.: 7.709 | 1st Qu.: 4.1409 | 1st Qu.: 7.752 | 1st Qu.: 5.1859 | 1st Qu.: 5.894 | 1st Qu.: 2.49866 | 1st Qu.: 10.320 | 1st Qu.: 8.020 | 1st Qu.: 7.5066 | 1st Qu.: 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| Mode :character | Mode :character | Mode :character | Mode :character | Mode :character | Median : 423.5 | Mode :character | Median :0.71489 | Median :0.00000 | Median :0.49696 | Median :0.00000 | Median : 6.00 | Median : 6.00 | Median : 6.00 | Median : 48.0 | Median : 48.00 | Median : 3.000 | Median : 0.000 | Median : 3.000 | Median :0.0000 | Median : 6.00 | Median : 52.0 | Median : 3.000 | Median : 0.000 | Median : 4.0 | Median :0.0000 | Mode :character | Median : 0.0000 | Median : 15.00 | Median : 0.00000 | Median : 0.00000 | Median : 0.00 | Median : 0.00000 | Median : 0.0000 | Median :1.889 | Median : 0.000 | Median : 0.000 | Median : 0.000 | Median : 16.0 | Median : 8.00 | Median : 0.0000 | Median : 0.000 | Median : 0.0000 | Median : 0.000 | Median : 0.000 | Median : 0.000 | Median :0.0000000 | Median : 0.00 | Median : 0.000 | Median : 1.000 | Median :0.0000 | Median :0.08000 | Median : 0.000 | Median : 0.0000 | Median :0.0000 | Median : 2.000 | Median : 14.00 | Median : 0.000 | Median :2.000 | Median : 17.00 | Median : 0.000 | Median : 0.0000 | Median : 2.000 | Median : 2.000 | Median : 381.46 | Median : 9.1285 | Median :0.019586 | Median :0.10254 | Median :0 | Median : 0.9305 | Median : 7.656 | Median :0.18013 | Median : 0.0000 | Median : 3.000 | Median :0.00000 | Median :0.0000 | Median : 1.00 | Median : 2.000 | Median : 30 | Median : 30 | Median : 16.736 | Median : 9.0363 | Median :0.5148 | Median :0.13132 | Median : 0.9305 | Median : 7.656 | Median :0.12202 | Median : 1.00 | Median : 126634 | Median :3.937e+09 | Median :3.307e+13 | Median :8.011e+10 | Median :0.3956 | Median :0.03572 | Median :0.0008190 | Median : 0.006600 | Median :1.163e+07 | Median :1.966e+13 | Median :5.410e+13 | Median :4.341e+10 | Median :1.315e+10 | Median :6.622e+11 | Median : 0.24492 | Median : 0.007516 | Median : 0.02784 | Median :0.003739 | Median :0.001294 | Median : 0.046910 | Median : 2092 | Median : 0.00061 | Median :0.16653 | Median :0.38879 | Median :0.5535 | Median : 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Median : 17.864 | Median :13.9861 | Median : 15.941 | Median : 7.732 | Median : 11.613 | Median : 18.479 | Median :1.5635 | Median : 16.2115 | Median : 13.155 | Median : 9.60956 | Mode :character | Mode :character | Median :0.2 | Median :1.9 | Median :1.4 | Median :1 | Median :2.0997 | Median :-4.700e-13 | Median :0.11807 | Median :0.013942 | Median :-0.6424 | Median : 1.9271 | Median :2.8 | Median :4.05 | Median :0.5 | |
| NA | NA | NA | NA | NA | Mean : 693.2 | NA | Mean :0.65812 | Mean :0.02136 | Mean :0.52720 | Mean :0.07626 | Mean :14.03 | Mean :13.84 | Mean :13.30 | Mean :103.5 | Mean : 98.92 | Mean : 7.777 | Mean : 1.255 | Mean : 3.956 | Mean :0.2311 | Mean : 14.31 | Mean :106.8 | Mean : 7.987 | Mean : 1.263 | Mean : 4.2 | Mean :0.2311 | NA | Mean : 0.6221 | Mean : 26.52 | Mean : 0.02028 | Mean : 0.01159 | Mean : 2.88 | Mean : 0.02273 | Mean : 0.1549 | Mean :1.594 | Mean : 0.861 | Mean : 4.006 | Mean : 3.652 | Mean : 39.5 | Mean : 13.56 | Mean : 0.3959 | Mean : 5.656 | Mean : 0.4657 | Mean : 2.499 | Mean : 4.044 | Mean : 1.959 | Mean :0.0001998 | Mean : 2.24 | Mean : 3.115 | Mean : 1.665 | Mean :0.1054 | Mean :0.20992 | Mean : 3.091 | Mean : 0.1223 | Mean :0.1054 | Mean : 3.363 | Mean : 33.16 | Mean : 2.003 | Mean :1.902 | Mean : 39.22 | Mean : 1.279 | Mean : 0.0742 | Mean : 5.091 | Mean : 2.002 | Mean : 918.83 | Mean : 20.0109 | Mean :0.024816 | Mean :0.12676 | Mean :0 | Mean : 1.4093 | Mean : 10.426 | Mean :0.22954 | Mean : 0.4497 | Mean : 4.904 | Mean :0.01248 | Mean :0.1475 | Mean : 2.26 | Mean : 2.384 | Mean : 398 | Mean : 398 | Mean : 36.599 | Mean : 19.7648 | Mean :0.6059 | Mean :0.22179 | Mean : 1.4093 | Mean : 10.426 | Mean :0.23024 | Mean : 1.08 | Mean : 1867470 | Mean :8.267e+12 | Mean :4.140e+19 | Mean :7.280e+15 | Mean :0.5013 | Mean :0.06408 | Mean :0.0020472 | Mean : 0.059078 | Mean :2.201e+09 | Mean :1.936e+19 | Mean :1.215e+20 | Mean :4.200e+15 | Mean :2.148e+15 | Mean :5.356e+16 | Mean : 0.55332 | Mean : 0.085993 | Mean : 0.73605 | Mean :0.039491 | Mean :0.026433 | Mean : 0.316094 | Mean : 4575 | Mean : 0.06229 | Mean :0.24050 | Mean :0.42861 | Mean :0.5410 | Mean : 8.499 | Mean : 4.707 | Mean : 3.067 | Mean : 898979 | Mean :1.207e+12 | Mean :6.017e+17 | Mean :9.321e+14 | Mean :0.73429 | Mean :0.141664 | Mean :0.006878 | Mean : 0.28397 | Mean :9.988e+08 | Mean :1.577e+18 | Mean :1.663e+19 | Mean :5.889e+14 | Mean :3.601e+14 | Mean :8.033e+15 | Mean : 1.34649 | Mean : 0.6366 | Mean : 6.623 | Mean : 0.21513 | Mean : 0.16924 | Mean : 1.2962 | Mean : 2470.60 | Mean : 0.07937 | Mean :0.24436 | Mean :0.4306 | Mean :0.54309 | Mean : 8.121 | Mean : 4.460 | Mean : 2.890 | Mean : 44.357 | Mean : 28.020 | Mean : 18.722 | Mean : 30.452 | Mean : 16.062 | Mean : 37.635 | Mean : 34.33 | Mean : 26.093 | Mean : 16.28718 | Mean : 41.081 | Mean : 50.286 | Mean : 30.316 | Mean : 45.488 | Mean : 19.534 | Mean : 31.08 | Mean : 47.162 | Mean :1.4040 | Mean : 40.624 | Mean : 39.453 | Mean : 22.3150 | Mean : 32.904 | Mean :20.551 | Mean :16.124 | Mean : 24.227 | Mean :12.050 | Mean : 27.546 | Mean : 27.100 | Mean :18.515 | Mean :14.092 | Mean : 30.289 | Mean : 37.275 | Mean :23.490 | Mean : 34.391 | Mean :15.989 | Mean : 23.571 | Mean : 35.022 | Mean :1.3939 | Mean : 31.057 | Mean : 30.01 | Mean :18.8763 | Mean : 324.6 | Mean : 324.6 | Mean : 28.580 | Mean : 17.1387 | Mean :0.6608 | Mean :0.212143 | Mean : 1.4093 | Mean : 10.426 | Mean :0.217640 | Mean : 1.295 | Mean : 1410604 | Mean :4.784e+12 | Mean :1.799e+19 | Mean :3.850e+15 | Mean :0.5384 | Mean :0.07417 | Mean :0.0025344 | Mean : 0.12412 | Mean :1.638e+09 | Mean :1.003e+19 | Mean :7.084e+19 | Mean :2.278e+15 | Mean :1.230e+15 | Mean :3.197e+16 | Mean : 0.71716 | Mean : 0.16076 | Mean : 1.7679 | Mean : 0.09550 | Mean : 0.07641 | Mean : 0.53096 | Mean : 3572.5 | Mean : 0.04727 | Mean :0.249434 | Mean :0.4307 | Mean :0.55162 | Mean : 7.927 | Mean : 4.312 | Mean : 2.796 | Mean : 754213 | Mean :8.983e+11 | Mean :3.915e+17 | Mean :7.038e+14 | Mean :0.75248 | Mean :0.147913 | Mean :0.0071733 | Mean : 0.5341 | Mean :8.321e+08 | Mean :1.119e+18 | Mean :1.256e+19 | Mean :4.525e+14 | Mean :2.850e+14 | Mean :6.111e+15 | Mean : 1.60606 | Mean : 0.8850 | Mean : 15.289 | Mean : 0.4529 | Mean : 0.3988 | Mean : 2.0531 | Mean : 2142.34 | Mean : 0.06804 | Mean :0.253101 | Mean :0.43267 | Mean :0.5540 | Mean : 7.611 | Mean : 4.111 | Mean : 2.6566 | Mean : 38.856 | Mean : 24.241 | Mean : 17.183 | Mean : 26.985 | Mean : 14.197 | Mean : 32.640 | Mean : 29.920 | Mean : 22.763 | Mean : 14.61989 | Mean : 35.362 | Mean : 43.722 | Mean : 25.952 | Mean : 39.407 | Mean : 17.421 | Mean : 26.852 | Mean : 40.573 | Mean :1.4943 | Mean : 34.729 | Mean : 34.46 | Mean : 19.18534 | Mean : 30.290 | Mean :18.720 | Mean :15.277 | Mean : 22.405 | Mean :11.276 | Mean : 25.213 | Mean : 24.336 | Mean :17.125 | Mean :12.80445 | Mean : 27.431 | Mean : 33.744 | Mean :21.128 | Mean : 30.939 | Mean :14.882 | Mean : 21.469 | Mean : 31.471 | Mean :1.4856 | Mean : 27.659 | Mean : 27.499 | Mean :16.6937 | Mean : 266.1 | Mean : 266.1 | Mean : 22.286 | Mean : 14.72126 | Mean :0.7141 | Mean :0.201884 | Mean : 1.4093 | Mean : 10.426 | Mean :0.204885 | Mean : 1.407 | Mean : 1064628 | Mean :2.851e+12 | Mean :8.361e+18 | Mean :2.237e+15 | Mean : 0.5749 | Mean :0.08510 | Mean :0.0031275 | Mean : 0.24684 | Mean :1.222e+09 | Mean :5.477e+18 | Mean :4.389e+19 | Mean :1.355e+15 | Mean :7.663e+14 | Mean :1.997e+16 | Mean : 0.99032 | Mean : 0.5708 | Mean : 17.12 | Mean : 0.20964 | Mean : 0.18483 | Mean : 1.5620 | Mean : 2785.8 | Mean : 0.05921 | Mean :0.264481 | Mean :0.440968 | Mean :0.56400 | Mean : 7.2755 | Mean : 3.9018 | Mean : 2.5291 | Mean : 624023 | Mean :6.572e+11 | Mean :2.518e+17 | Mean : 5.340e+14 | Mean : 0.77145 | Mean :0.153903 | Mean :0.0074166 | Mean : 0.9605 | Mean :6.842e+08 | Mean :7.873e+17 | Mean :9.328e+18 | Mean : 3.508e+14 | Mean :2.286e+14 | Mean :4.557e+15 | Mean : 2.2101 | Mean : 7.481 | Mean : 334.7 | Mean : 0.9060 | Mean : 0.8696 | Mean : 9.863 | Mean : 1840.158 | Mean : 0.07152 | Mean :0.268058 | Mean :0.442972 | Mean :0.56658 | Mean : 7.0084 | Mean : 3.7359 | Mean : 2.4165 | Mean : 33.911 | Mean : 20.777 | Mean : 15.829 | Mean : 23.928 | Mean :12.560 | Mean : 28.225 | Mean : 25.532 | Mean : 19.761 | Mean :12.68979 | Mean : 30.077 | Mean : 37.407 | Mean : 21.9204 | Mean : 33.554 | Mean : 15.588 | Mean : 23.248 | Mean : 34.40 | Mean :1.6395 | Mean : 29.219 | Mean : 30.064 | Mean : 16.2019 | Mean : 27.79 | Mean :16.846 | Mean :14.626 | Mean : 20.790 | Mean :10.5400 | Mean : 22.988 | Mean : 21.5297 | Mean :15.726 | Mean :11.43658 | Mean : 24.495 | Mean : 30.085 | Mean :18.7460 | Mean : 27.409 | Mean :13.938 | Mean : 19.579 | Mean : 27.849 | Mean :1.6320 | Mean : 24.2524 | Mean : 25.194 | Mean :14.57551 | NA | NA | Mean :0.2 | Mean :1.9 | Mean :1.4 | Mean :1 | Mean :2.1229 | Mean :-8.262e-11 | Mean :0.12647 | Mean :0.018388 | Mean :-0.6861 | Mean : 2.6246 | Mean :2.8 | Mean :4.05 | Mean :0.5 | |
| NA | NA | NA | NA | NA | 3rd Qu.: 922.2 | NA | 3rd Qu.:0.86185 | 3rd Qu.:0.00000 | 3rd Qu.:0.73136 | 3rd Qu.:0.00000 | 3rd Qu.:20.00 | 3rd Qu.:20.00 | 3rd Qu.:19.00 | 3rd Qu.:137.0 | 3rd Qu.:134.00 | 3rd Qu.:10.000 | 3rd Qu.: 2.000 | 3rd Qu.: 5.000 | 3rd Qu.:0.0000 | 3rd Qu.: 21.00 | 3rd Qu.:145.0 | 3rd Qu.:10.000 | 3rd Qu.: 2.000 | 3rd Qu.: 6.0 | 3rd Qu.:0.0000 | NA | 3rd Qu.: 0.0000 | 3rd Qu.: 37.00 | 3rd Qu.: 0.00000 | 3rd Qu.: 0.00000 | 3rd Qu.: 0.00 | 3rd Qu.: 0.00000 | 3rd Qu.: 0.0000 | 3rd Qu.:1.968 | 3rd Qu.: 0.000 | 3rd Qu.: 0.000 | 3rd Qu.: 0.000 | 3rd Qu.: 47.0 | 3rd Qu.: 19.00 | 3rd Qu.: 0.0000 | 3rd Qu.: 3.000 | 3rd Qu.: 0.0000 | 3rd Qu.: 0.000 | 3rd Qu.: 0.000 | 3rd Qu.: 0.000 | 3rd Qu.:0.0000000 | 3rd Qu.: 2.00 | 3rd Qu.: 0.000 | 3rd Qu.: 2.000 | 3rd Qu.:0.0000 | 3rd Qu.:0.22222 | 3rd Qu.: 2.000 | 3rd Qu.: 0.0000 | 3rd Qu.:0.0000 | 3rd Qu.: 4.000 | 3rd Qu.: 41.00 | 3rd Qu.: 2.000 | 3rd Qu.:2.000 | 3rd Qu.: 48.00 | 3rd Qu.: 0.000 | 3rd Qu.: 0.0000 | 3rd Qu.:11.000 | 3rd Qu.: 2.000 | 3rd Qu.: 900.06 | 3rd Qu.: 23.3207 | 3rd Qu.:0.029491 | 3rd Qu.:0.14501 | 3rd Qu.:0 | 3rd Qu.: 1.5642 | 3rd Qu.: 12.221 | 3rd Qu.:0.25957 | 3rd Qu.: 0.1680 | 3rd Qu.: 7.000 | 3rd Qu.:0.00000 | 3rd Qu.:0.0000 | 3rd Qu.: 3.00 | 3rd Qu.: 3.000 | 3rd Qu.: 188 | 3rd Qu.: 188 | 3rd Qu.: 41.986 | 3rd Qu.: 22.6287 | 3rd Qu.:0.7087 | 3rd Qu.:0.24302 | 3rd Qu.: 1.5642 | 3rd Qu.: 12.221 | 3rd Qu.:0.25148 | 3rd Qu.: 1.00 | 3rd Qu.: 834399 | 3rd Qu.:1.416e+11 | 3rd Qu.:5.771e+15 | 3rd Qu.:1.051e+13 | 3rd Qu.:0.6194 | 3rd Qu.:0.07398 | 3rd Qu.:0.0019248 | 3rd Qu.: 0.036253 | 3rd Qu.:2.128e+08 | 3rd Qu.:5.024e+15 | 3rd Qu.:2.138e+16 | 3rd Qu.:6.423e+12 | 3rd Qu.:2.980e+12 | 3rd Qu.:8.926e+13 | 3rd Qu.: 0.62191 | 3rd Qu.: 0.039772 | 3rd Qu.: 0.21976 | 3rd Qu.:0.021863 | 3rd Qu.:0.011014 | 3rd Qu.: 0.208733 | 3rd Qu.: 5248 | 3rd Qu.: 0.87653 | 3rd Qu.:0.35128 | 3rd Qu.:0.62290 | 3rd Qu.:0.7362 | 3rd Qu.:10.754 | 3rd Qu.: 5.690 | 3rd Qu.: 3.611 | 3rd Qu.: 380441 | 3rd Qu.:3.123e+10 | 3rd Qu.:5.729e+14 | 3rd Qu.:2.701e+12 | 3rd Qu.:0.95435 | 3rd Qu.:0.174729 | 3rd Qu.:0.007327 | 3rd Qu.: 0.13848 | 3rd Qu.:9.184e+07 | 3rd Qu.:9.958e+14 | 3rd Qu.:4.454e+15 | 3rd Qu.:1.621e+12 | 3rd Qu.:8.505e+11 | 3rd Qu.:1.881e+13 | 3rd Qu.: 1.51152 | 3rd Qu.: 0.2345 | 3rd Qu.: 1.317 | 3rd Qu.: 0.09245 | 3rd Qu.: 0.05261 | 3rd Qu.: 0.7834 | 3rd Qu.: 2828.59 | 3rd Qu.: 0.97314 | 3rd Qu.:0.36195 | 3rd Qu.:0.6265 | 3rd Qu.:0.74160 | 3rd Qu.:10.373 | 3rd Qu.: 5.414 | 3rd Qu.: 3.357 | 3rd Qu.: 59.079 | 3rd Qu.: 35.397 | 3rd Qu.: 24.679 | 3rd Qu.: 40.717 | 3rd Qu.: 21.655 | 3rd Qu.: 49.869 | 3rd Qu.: 46.59 | 3rd Qu.: 34.022 | 3rd Qu.: 22.03284 | 3rd Qu.: 52.840 | 3rd Qu.: 67.328 | 3rd Qu.: 39.382 | 3rd Qu.: 61.145 | 3rd Qu.: 26.837 | 3rd Qu.: 41.30 | 3rd Qu.: 63.043 | 3rd Qu.:1.5436 | 3rd Qu.: 54.798 | 3rd Qu.: 53.057 | 3rd Qu.: 30.2997 | 3rd Qu.: 44.032 | 3rd Qu.:25.986 | 3rd Qu.:21.108 | 3rd Qu.: 32.641 | 3rd Qu.:15.842 | 3rd Qu.: 36.758 | 3rd Qu.: 38.234 | 3rd Qu.:24.068 | 3rd Qu.:19.642 | 3rd Qu.: 38.995 | 3rd Qu.: 51.003 | 3rd Qu.:30.601 | 3rd Qu.: 47.475 | 3rd Qu.:21.531 | 3rd Qu.: 31.655 | 3rd Qu.: 46.650 | 3rd Qu.:1.5377 | 3rd Qu.: 41.693 | 3rd Qu.: 40.49 | 3rd Qu.:25.7260 | 3rd Qu.: 134.2 | 3rd Qu.: 134.2 | 3rd Qu.: 31.034 | 3rd Qu.: 20.0793 | 3rd Qu.:0.7762 | 3rd Qu.:0.234129 | 3rd Qu.: 1.5642 | 3rd Qu.: 12.221 | 3rd Qu.:0.238605 | 3rd Qu.: 1.000 | 3rd Qu.: 537434 | 3rd Qu.:6.007e+10 | 3rd Qu.:1.585e+15 | 3rd Qu.:4.899e+12 | 3rd Qu.:0.6883 | 3rd Qu.:0.08538 | 3rd Qu.:0.0022000 | 3rd Qu.: 0.05466 | 3rd Qu.:1.245e+08 | 3rd Qu.:1.920e+15 | 3rd Qu.:7.888e+15 | 3rd Qu.:2.913e+12 | 3rd Qu.:1.366e+12 | 3rd Qu.:3.611e+13 | 3rd Qu.: 0.78815 | 3rd Qu.: 0.05533 | 3rd Qu.: 0.3712 | 3rd Qu.: 0.03499 | 3rd Qu.: 0.01804 | 3rd Qu.: 0.29807 | 3rd Qu.: 3879.2 | 3rd Qu.: 0.69944 | 3rd Qu.:0.382459 | 3rd Qu.:0.6384 | 3rd Qu.:0.74990 | 3rd Qu.:10.052 | 3rd Qu.: 5.273 | 3rd Qu.: 3.348 | 3rd Qu.: 283716 | 3rd Qu.:1.696e+10 | 3rd Qu.:2.206e+14 | 3rd Qu.:1.400e+12 | 3rd Qu.:0.97935 | 3rd Qu.:0.173394 | 3rd Qu.:0.0069911 | 3rd Qu.: 0.1680 | 3rd Qu.:6.219e+07 | 3rd Qu.:4.717e+14 | 3rd Qu.:1.997e+15 | 3rd Qu.:9.733e+11 | 3rd Qu.:4.957e+11 | 3rd Qu.:9.545e+12 | 3rd Qu.: 1.65241 | 3rd Qu.: 0.2507 | 3rd Qu.: 1.609 | 3rd Qu.: 0.1146 | 3rd Qu.: 0.0668 | 3rd Qu.: 0.8954 | 3rd Qu.: 2509.92 | 3rd Qu.: 0.75686 | 3rd Qu.:0.391914 | 3rd Qu.:0.64166 | 3rd Qu.:0.7560 | 3rd Qu.: 9.693 | 3rd Qu.: 5.013 | 3rd Qu.: 3.1245 | 3rd Qu.: 52.074 | 3rd Qu.: 30.432 | 3rd Qu.: 22.235 | 3rd Qu.: 36.288 | 3rd Qu.: 19.358 | 3rd Qu.: 44.320 | 3rd Qu.: 41.594 | 3rd Qu.: 30.303 | 3rd Qu.: 19.88926 | 3rd Qu.: 45.943 | 3rd Qu.: 59.243 | 3rd Qu.: 34.014 | 3rd Qu.: 53.912 | 3rd Qu.: 23.965 | 3rd Qu.: 36.816 | 3rd Qu.: 54.450 | 3rd Qu.:1.6807 | 3rd Qu.: 47.613 | 3rd Qu.: 46.80 | 3rd Qu.: 26.61472 | 3rd Qu.: 40.805 | 3rd Qu.:24.479 | 3rd Qu.:19.727 | 3rd Qu.: 29.881 | 3rd Qu.:14.880 | 3rd Qu.: 34.142 | 3rd Qu.: 34.459 | 3rd Qu.:22.480 | 3rd Qu.:18.15835 | 3rd Qu.: 35.737 | 3rd Qu.: 46.899 | 3rd Qu.:28.126 | 3rd Qu.: 43.452 | 3rd Qu.:19.854 | 3rd Qu.: 28.978 | 3rd Qu.: 42.713 | 3rd Qu.:1.6787 | 3rd Qu.: 38.370 | 3rd Qu.: 37.412 | 3rd Qu.:23.2858 | 3rd Qu.: 91.0 | 3rd Qu.: 91.0 | 3rd Qu.: 23.136 | 3rd Qu.: 17.60283 | 3rd Qu.:0.8410 | 3rd Qu.:0.223904 | 3rd Qu.: 1.5642 | 3rd Qu.: 12.221 | 3rd Qu.:0.225758 | 3rd Qu.: 2.000 | 3rd Qu.: 348195 | 3rd Qu.:2.380e+10 | 3rd Qu.:3.796e+14 | 3rd Qu.:1.944e+12 | 3rd Qu.: 0.7304 | 3rd Qu.:0.09145 | 3rd Qu.:0.0023989 | 3rd Qu.: 0.06636 | 3rd Qu.:7.277e+07 | 3rd Qu.:5.627e+14 | 3rd Qu.:2.697e+15 | 3rd Qu.:1.229e+12 | 3rd Qu.:6.133e+11 | 3rd Qu.:1.242e+13 | 3rd Qu.: 0.91012 | 3rd Qu.: 0.0677 | 3rd Qu.: 0.50 | 3rd Qu.: 0.04448 | 3rd Qu.: 0.02347 | 3rd Qu.: 0.3816 | 3rd Qu.: 2892.0 | 3rd Qu.: 0.49467 | 3rd Qu.:0.417964 | 3rd Qu.:0.656948 | 3rd Qu.:0.76544 | 3rd Qu.: 9.3889 | 3rd Qu.: 4.8368 | 3rd Qu.: 3.1009 | 3rd Qu.: 208533 | 3rd Qu.:8.538e+09 | 3rd Qu.:8.161e+13 | 3rd Qu.: 6.673e+11 | 3rd Qu.: 0.95705 | 3rd Qu.:0.164765 | 3rd Qu.:0.0063822 | 3rd Qu.: 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Max. :2.493e+18 | Max. :102.77749 | Max. :818.9250 | Max. :6758.274 | Max. :171.31354 | Max. :153.86227 | Max. :350.5213 | Max. :25094.14 | Max. : 42.07079 | Max. :0.97604 | Max. :0.9998 | Max. :0.99907 | Max. :37.705 | Max. :21.138 | Max. :11.731 | Max. :336.806 | Max. :172.641 | Max. :143.492 | Max. :240.539 | Max. :122.989 | Max. :291.527 | Max. :249.78 | Max. :199.398 | Max. :126.04253 | Max. :251.895 | Max. :336.974 | Max. :185.947 | Max. :306.014 | Max. :140.614 | Max. :243.47 | Max. :300.629 | Max. :2.1256 | Max. :258.269 | Max. :302.181 | Max. :169.9088 | Max. :152.152 | Max. :77.400 | Max. :93.589 | Max. :120.487 | Max. :61.664 | Max. :124.889 | Max. :133.516 | Max. :85.014 | Max. :81.865 | Max. :121.906 | Max. :181.684 | Max. :89.541 | Max. :173.363 | Max. :82.495 | Max. :108.708 | Max. :158.602 | Max. :2.1200 | Max. :143.250 | Max. :142.98 | Max. :82.3416 | Max. :69202.0 | Max. :69202.0 | Max. :827.504 | Max. :190.3212 | Max. :7.6615 | Max. :6.163735 | Max. :27.1637 | Max. :101.722 | Max. :6.687471 | Max. :21.000 | Max. :140189341 | Max. :5.397e+15 | Max. :5.008e+22 | Max. :3.915e+18 | Max. :3.9282 | Max. :1.54427 | Max. :0.1559447 | Max. :57.81534 | Max. :3.896e+11 | Max. :1.596e+22 | Max. :9.072e+22 | Max. :2.064e+18 | Max. :8.571e+17 | Max. :3.569e+19 | Max. :31.67434 | Max. :81.10713 | Max. :967.8017 | Max. :56.42751 | Max. :55.50230 | Max. :92.93491 | Max. :103438.0 | Max. : 47.29435 | Max. :0.981189 | Max. :0.9992 | Max. :0.99643 | Max. :38.865 | Max. :20.863 | Max. :11.583 | Max. :33869823 | Max. :1.648e+14 | Max. :2.612e+20 | Max. :1.637e+17 | Max. :8.07015 | Max. :5.068220 | Max. :0.5004483 | Max. :378.5467 | Max. :9.006e+10 | Max. :6.020e+20 | Max. :5.074e+21 | Max. :8.746e+16 | Max. :6.386e+16 | Max. :2.124e+18 | Max. :107.90039 | Max. :603.4435 | Max. :11263.431 | Max. :370.4748 | Max. :365.0935 | Max. :559.9332 | Max. :23790.15 | Max. : 59.38051 | Max. :0.977131 | Max. :0.99960 | Max. :0.9981 | Max. :37.286 | Max. :21.015 | Max. :11.2732 | Max. :307.209 | Max. :157.143 | Max. :142.901 | Max. :217.500 | Max. :111.383 | Max. :263.074 | Max. :235.198 | Max. :179.513 | Max. :106.40724 | Max. :227.318 | Max. :318.958 | Max. :171.686 | Max. :290.411 | Max. :127.611 | Max. :219.824 | Max. :286.815 | Max. :2.6805 | Max. :245.247 | Max. :276.56 | Max. :142.13052 | Max. :148.035 | Max. :75.362 | Max. :91.571 | Max. :117.362 | Max. :58.878 | Max. :121.465 | Max. :130.605 | Max. :83.700 | Max. :79.81984 | Max. :119.215 | Max. :178.642 | Max. :86.954 | Max. :170.518 | Max. :80.681 | Max. :105.887 | Max. :155.731 | Max. :2.6790 | Max. :140.198 | Max. :138.634 | Max. :79.6726 | Max. :43653.0 | Max. :43653.0 | Max. :689.944 | Max. :179.45646 | Max. :7.9722 | Max. :6.139017 | Max. :27.1637 | Max. :101.722 | Max. :6.545641 | Max. :16.000 | Max. :115722779 | Max. :3.312e+15 | Max. :2.395e+22 | Max. :2.464e+18 | Max. :14.9298 | Max. :1.65762 | Max. :0.2413896 | Max. :155.84836 | Max. :3.214e+11 | Max. :8.439e+21 | Max. :6.477e+22 | Max. :1.300e+18 | Max. :5.238e+17 | Max. :2.578e+19 | Max. :227.93344 | Max. :1057.2979 | Max. :50815.39 | Max. :154.26222 | Max. :153.20479 | Max. :2296.0034 | Max. :86243.0 | Max. : 57.66525 | Max. :0.979546 | Max. :0.999983 | Max. :0.99727 | Max. :38.4340 | Max. :20.7181 | Max. :11.0491 | Max. :31085999 | Max. :1.275e+14 | Max. :1.602e+20 | Max. : 1.264e+17 | Max. :33.38355 | Max. :6.140774 | Max. :0.3972859 | Max. :969.9884 | Max. :8.064e+10 | Max. :4.385e+20 | Max. :4.234e+21 | Max. : 6.697e+16 | Max. :5.340e+16 | Max. :1.786e+18 | Max. :1140.7211 | Max. :26490.253 | Max. :1272960.3 | Max. :961.2606 | Max. :955.4421 | Max. :25694.954 | Max. :22432.057 | Max. : 71.76206 | Max. :0.975770 | Max. :0.999995 | Max. :0.99921 | Max. :36.7693 | Max. :20.9129 | Max. :10.7455 | Max. :280.091 | Max. :143.489 | Max. :145.425 | Max. :198.159 | Max. :99.782 | Max. :237.935 | Max. :224.450 | Max. :160.388 | Max. :99.88096 | Max. :212.662 | Max. :306.290 | Max. :159.3042 | Max. :279.772 | Max. :130.325 | Max. :200.009 | Max. :273.75 | Max. :3.9132 | Max. :233.554 | Max. :253.288 | Max. :115.5438 | Max. :144.86 | Max. :73.180 | Max. :89.265 | Max. :114.390 | Max. :56.9956 | Max. :117.627 | Max. :125.0562 | Max. :82.092 | Max. :77.92828 | Max. :116.713 | Max. :174.841 | Max. :84.4988 | Max. :166.086 | Max. :77.797 | Max. :102.679 | Max. :152.782 | Max. :3.9084 | Max. :136.0006 | Max. :134.832 | Max. :76.94257 | NA | NA | Max. :0.2 | Max. :1.9 | Max. :1.4 | Max. :1 | Max. :3.9402 | Max. : 4.449e-08 | Max. :0.42034 | Max. :0.176686 | Max. :-0.1905 | Max. :27.3234 | Max. :2.8 | Max. :4.05 | Max. :0.5 |
frequent_res_name <- data_set_clean %>% select(res_name) %>% group_by(res_name) %>% summarise(count = n()) %>% arrange(desc(count)) %>% head(50)
data_set_clean_significant <- data_set_clean %>% filter(res_name %in% frequent_res_name$res_name)
nrow(data_set_clean_significant)## [1] 3113
Kolumny, dla których liczona jest korelacja muszą zawierać wartości numeryczne. Dlatego też tylko takie, które je zawierają zostały wzięte pod uwagę w tej sekcji. Zachodzi również potrzeba wyłączenia z analizy korelacji kolumn o odchyleniu standardowym bliskim zeru ze względu na wymagania dotyczące metody tworzącej wykres.
#correlation <- cor(data_set_clean_significant, method = 'kendall', use = 'complete.obs')
#correlation <- as.data.frame(as.table(cor(data_set_clean_significant %>% select_if(is.numeric), method = "kendall", use="complete.obs")))
data_to_cor <- data_set_clean_significant %>% select_if(is.numeric)
#correlation <- rcorr(as.matrix(data_to_cor))
flattenCorrMatrix <- function(cormat, pmat) {
ut <- upper.tri(cormat)
data.frame(
row = rownames(cormat)[row(cormat)[ut]],
column = rownames(cormat)[col(cormat)[ut]],
cor =(cormat)[ut],
p = pmat[ut]
)
}
#flattenCorrMatrix(correlation$r, correlation$P)
near_zero_var_cols <- nearZeroVar(data_to_cor, names = TRUE)
data_to_cor <- data_to_cor %>% select(-near_zero_var_cols)
correlation <- cor(data_to_cor)
#symnum(correlation)
#corrplot(correlation, type = "upper", order = "hclust", tl.col = "black", tl.srt = 45)
corrplot(correlation, tl.pos="n", type="upper", diag=TRUE, method="color", order="hclust")data_set_clean_significant %>%
select(res_name, local_res_atom_non_h_count, dict_atom_non_h_count) %>%
distinct(res_name, .keep_all = TRUE) %>%
mutate(diff = abs(local_res_atom_non_h_count - dict_atom_non_h_count)) %>%
arrange(desc(diff)) %>%
head(10) %>%
kable() %>%
kable_styling(bootstrap_options = c("striped", "hover", "condensed"))| res_name | local_res_atom_non_h_count | dict_atom_non_h_count | diff |
|---|---|---|---|
| NAG | 14 | 15 | 1 |
| MLY | 11 | 12 | 1 |
| PLP | 15 | 16 | 1 |
| MAN | 11 | 12 | 1 |
| BGM | 23 | 24 | 1 |
| DLE | 8 | 9 | 1 |
| CME | 10 | 11 | 1 |
| WFP | 13 | 14 | 1 |
| SO4 | 5 | 5 | 0 |
| GOL | 6 | 6 | 0 |
data_set_clean_significant %>%
select(res_name, local_res_atom_non_h_electron_sum, dict_atom_non_h_electron_sum) %>%
distinct(res_name, .keep_all = TRUE) %>%
mutate(diff = abs(local_res_atom_non_h_electron_sum - dict_atom_non_h_electron_sum)) %>%
arrange(desc(diff)) %>%
head(10) %>%
kable() %>%
kable_styling(bootstrap_options = c("striped", "hover", "condensed"))| res_name | local_res_atom_non_h_electron_sum | dict_atom_non_h_electron_sum | diff |
|---|---|---|---|
| NAG | 95 | 103 | 8 |
| MLY | 70 | 78 | 8 |
| PLP | 110 | 118 | 8 |
| MAN | 76 | 84 | 8 |
| BGM | 193 | 201 | 8 |
| DLE | 51 | 59 | 8 |
| CME | 85 | 93 | 8 |
| WFP | 87 | 95 | 8 |
| SO4 | 48 | 48 | 0 |
| GOL | 42 | 42 | 0 |
attributes_part_01 <- colnames(data_set_clean_significant)[grepl("part_01_",colnames(data_set_clean_significant))]
dd <- data_set_clean_significant %>% select(attributes_part_01) %>% keep(is.numeric) %>% gather() #%>%
ggplotly(
ggplot(data = dd, aes(value)) +
facet_wrap(~ key, scales = "free", ncol = 3) +
geom_density() +
scale_y_continuous()) #+p <- plot_ly(frequent_res_name, x = ~frequent_res_name$res_name, y = ~frequent_res_name$count, type = 'bar', text = frequent_res_name$res_name,
marker = list(color = 'rgb(158,202,225)',
line = list(color = 'rgb(8,48,107)',
width = 1.5))) %>%
layout(title = "Cardinality of classes",
xaxis = list(title = "Class"),
yaxis = list(title = "Cardinality"))
p